{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.232696 1.429874 2.018017 ] [ 2.664166 0.3933008 4.008788 ] [ 2.480457 2.487888 4.841749 ] [ 1.659099 3.474448 2.765735 ] [ 4.127261 1.03872 2.31822 ] [ 4.538799 1.714568 4.545045 ] [ 3.952007 3.51716 3.378238 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.232696e-10 1.429874e-10 2.018017e-10 ] [ 2.664166e-10 3.933008e-11 4.008788e-10 ] [ 2.480457e-10 2.487888e-10 4.841749e-10 ] [ 1.659099e-10 3.474448e-10 2.765735e-10 ] [ 4.127261e-10 1.03872e-10 2.31822e-10 ] [ 4.538799e-10 1.714568e-10 4.545045e-10 ] [ 3.952007e-10 3.51716e-10 3.378238e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.1311111 -3.0914407 1.9394434 ] [ -5.5237591 -4.1237852 -1.977318 ] [ -5.289857 1.5049817 5.6706058 ] [ -1.9460727 1.7315901 -1.5560154 ] [ -4.0304751 1.8023042 -4.293458 ] [ 7.1050965 -1.1598839 4.1699538 ] [ 3.5539563 3.3362339 -3.9532117 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.823122944878038e-09 -4.953034054936603e-09 3.107330898445515e-09 ] [ -8.85003776186487e-09 -6.607032291075017e-09 -3.168012697587611e-09 ] [ -8.475285282601336e-09 2.411246514337598e-09 9.085312113384876e-09 ] [ -3.117952208005292e-09 2.774313197885723e-09 -2.493011516024163e-09 ] [ -6.457533029138813e-09 2.887609676600063e-09 -6.878878086660372e-09 ] [ 1.138361959461518e-08 -1.858338882732792e-09 6.681002543219508e-09 ] [ 5.694065742117093e-09 5.345236000138693e-09 -6.333743414995418e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.539034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.290716035973155e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5564437 1.2886843 1.9132427 ] [ 2.4882725 0.3599591 4.0573663 ] [ 2.4257153 2.6609344 5.0376638 ] [ 1.4954849 3.5205321 2.8642241 ] [ 4.0539377 1.1940324 2.1989295 ] [ 4.6434909 1.5367376 4.6253204 ] [ 3.9911401 3.4950789 3.1790451 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5564437e-10 1.2886843e-10 1.9132427e-10 ] [ 2.4882725e-10 3.599591e-11 4.0573663e-10 ] [ 2.4257153e-10 2.6609344e-10 5.0376638e-10 ] [ 1.4954849e-10 3.5205321e-10 2.8642241e-10 ] [ 4.0539377e-10 1.1940324e-10 2.1989295e-10 ] [ 4.6434909e-10 1.5367376e-10 4.6253204e-10 ] [ 3.9911401e-10 3.4950789e-10 3.1790451e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.29e-05 -4.59e-05 7.13e-05 ] [ -1.62e-05 -2.44e-05 -8.1e-06 ] [ 3.28e-05 -1.8e-05 -0.0001615 ] [ 3.03e-05 -3.8e-06 3.3e-06 ] [ -4.28e-05 8.97e-05 6.59e-05 ] [ -4e-05 5.78e-05 -7.6e-05 ] [ 4.87e-05 -5.54e-05 0.0001051 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.06680785786e-14 -7.353990750059999e-14 1.142351940042e-13 ] [ -2.59552614708e-14 -3.909310986959999e-14 -1.29776307354e-14 ] [ 5.255139359519999e-14 -2.8839179412e-14 -2.58751526391e-13 ] [ 4.854595201019999e-14 -6.088271209199999e-15 5.2871828922e-15 ] [ -6.857315993519999e-14 1.437152440698e-13 1.055834401806e-13 ] [ -6.408706535999999e-14 9.26058094452e-14 -1.21765424184e-13 ] [ 7.802600207579999e-14 -8.876058552359998e-14 1.683887642334e-13 ] ] } "relaxed-potential-energy" { "source-value" -25.011241 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.007242591754279e-18 } }